SCHEMBL3256554

SCHEMBL3256554

Cc1nnc(-c2ccc3c(c2)ncn3-c2cc(CO[C@H](C)c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c(C(N)=O)s2)o1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.41
CYP3A4 P08684 9/20 0.41
CYP2C9 P11712 5/20 0.40
PLK3 Q9H4B4 7/20 0.40
NEK2 P51955 3/20 0.40
PIK3CD O00329 2/20 0.40
NUAK1 O60285 2/20 0.40
PDGFRB P09619 2/20 0.40
PIM1 P11309 2/20 0.40
KDR P35968 2/20 0.40
PIK3CG P48736 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13440387 0.91 PLK1 (0.50) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3258921 0.91 PLK1 (0.50) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3257571 0.86 PLK1 (0.44) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL13440384 0.86 PLK1 (0.44) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL13440388 0.82 PLK1 (0.60) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3250730 0.82 PLK1 (0.60) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3257786 0.80 PLK1 (0.62) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL13440210 0.80 PLK1 (0.57) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3248782 0.80 PLK1 (0.57) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3257355 0.80 PLK1 (0.65) PLK1CYP3A4CYP2C9PLK3NEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed